N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide

C24H24N4O4 — CID 31886454

IUPACN-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24N4O4/c29-23(11-12-25-24(30)20-6-5-18-3-1-2-4-19(18)17-20)27-15-13-26(14-16-27)21-7-9-22(10-8-21)28(31)32/h1-10,17H,11-16H2,(H,25,30)
InChIKeyQUZVWMGDYGTMLK-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.22
Rot. Bonds6

About N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 31886454) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID31886454
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H24N4O4/c29-23(11-12-25-24(30)20-6-5-18-3-1-2-4-19(18)17-20)27-15-13-26(14-16-27)21-7-9-22(10-8-21)28(31)32/h1-10,17H,11-16H2,(H,25,30)
InChIKeyQUZVWMGDYGTMLK-UHFFFAOYSA-N
XLogP3.22
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzamide
CID 3891451
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-nitrobenzamide
CID 7964592
4-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 79203278
N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568938
1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 5197218
4-nitro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 17192800
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 24737765
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]sulfanylpropan-1-one
CID 4166020
N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide
CID 10215842

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide (CID 31886454) is N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide is O=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is QUZVWMGDYGTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-23(11-12-25-24(30)20-6-5-18-3-1-2-4-19(18)17-20)27-15-13-26(14-16-27)21-7-9-22(10-8-21)28(31)32/h1-10,17H,11-16H2,(H,25,30).
What are the key properties of N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 31886454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).